[7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone

C24H28N4O2 — CID 59636780

IUPAC[7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)N1CCCC1
InChIInChI=1S/C24H28N4O2/c29-24(28-11-3-4-12-28)22-18-19-6-5-8-21(23(19)30-22)27-16-14-26(15-17-27)13-9-20-7-1-2-10-25-20/h1-2,5-8,10,18H,3-4,9,11-17H2
InChIKeyZXSHOERJJDKLRL-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.43
Rot. Bonds5

About [7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone

[7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 59636780) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is [7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID59636780
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name[7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)N1CCCC1
InChIInChI=1S/C24H28N4O2/c29-24(28-11-3-4-12-28)22-18-19-6-5-8-21(23(19)30-22)27-16-14-26(15-17-27)13-9-20-7-1-2-10-25-20/h1-2,5-8,10,18H,3-4,9,11-17H2
InChIKeyZXSHOERJJDKLRL-UHFFFAOYSA-N
XLogP3.43
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone (CID 59636780) is [7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)N1CCCC1.
What is the InChIKey of [7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZXSHOERJJDKLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-24(28-11-3-4-12-28)22-18-19-6-5-8-21(23(19)30-22)27-16-14-26(15-17-27)13-9-20-7-1-2-10-25-20/h1-2,5-8,10,18H,3-4,9,11-17H2.
What are the key properties of [7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone?
[7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 404.51 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 59636780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).